3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzenecarbonitrile hydrochloride Openeye Name: 3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)allyl]piperazin-1-yl]benzonitrile hydrochloride CAS Name: 3-[4-[(E)-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]benzonitrile hydrochloride IUPAC Name: 3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzonitrile hydrochloride Traditional Name: 3-[4-[(E)-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]allyl]piperazino]benzonitrile hydrochloride Formula: C22H24ClN7 MolecularWeight: 421.92586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCN(CC3)C4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCN(CC3)C4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C22H23N7.ClH/c1-18-20(17-26-29(18)22-24-8-4-9-25-22)6-3-10-27-11-13-28(14-12-27)21-7-2-5-19(15-21)16-23;/h2-9,15,17H,10-14H2,1H3;1H/b6-3+;